L690-0012 Screening compound: N-[(furan-2-yl)methyl]-2-{4-oxo-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}acetamide

L690-0012 Screening compound: N-[(furan-2-yl)methyl]-2-{4-oxo-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}acetamide
L690-0012 Screening compound: N-[(furan-2-yl)methyl]-2-{4-oxo-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L690-0012
N-[(furan-2-yl)methyl]-2-{4-oxo-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

L690-0012

Molecular Formula

C26H20N6O4 (C26 H20 N6 O4)

Compound Name

N-[(furan-2-yl)methyl]-2-{4-oxo-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}acetamide

IUPAC name

N-[(furan-2-yl)methyl]-2-{4-oxo-3-[(3-phenyl-124-oxadiazol-5-yl)methyl]-3H4H5H-pyrimido[54-b]indol-5-yl}acetamide

SMILES

O=C(Cn(c1c2cccc1)c1c2N=CN(Cc2nc(-c3ccccc3)no2)C1=O)NCc1ccco1

InChI

InChI=1S/C26H20N6O4/c33-21(27-13-18-9-6-12-35-18)14-32-20-11-5-4-10-19(20)23-24(32)26(34)31(16-28-23)15-22-29-25(30-36-22)17-7-2-1-3-8-17/h1-12,16H,13-15H2,(H,27,33)

InChI Key

DTFHVIPCPOUCOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27469585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.815

Distribution Coefficient, logD

3.815

Water Solubility, LogSw

-4.20

Polar Surface Area

88.492

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

L690-0012 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Indole Derivatives (10091 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with L690-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L690-0012?
Check Price and Availability of L690-0012, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L690-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L690-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L690-0012
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of L690-0012 available by request